N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide

C15H18FN3O — CID 110731059

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
SMILESCc1n[nH]c(C)c1CNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O/c1-10-14(11(2)19-18-10)9-17-15(20)8-5-12-3-6-13(16)7-4-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYJPPFUIHHYYHSY-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.41
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 110731059) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
PubChem CID110731059
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
SMILESCc1n[nH]c(C)c1CNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O/c1-10-14(11(2)19-18-10)9-17-15(20)8-5-12-3-6-13(16)7-4-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYJPPFUIHHYYHSY-UHFFFAOYSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]methyl]benzoic acid
CID 84613407
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110739127
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 91761757
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide
CID 171688151
3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 29278184
3-(4-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47729327
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110444644
3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 110734347

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide (CID 110731059) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide is Cc1n[nH]c(C)c1CNC(=O)CCc1ccc(F)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is YJPPFUIHHYYHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-14(11(2)19-18-10)9-17-15(20)8-5-12-3-6-13(16)7-4-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 275.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 110731059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).